| Overall | Low resolution | High resolution | |
|---|---|---|---|
| Resolution (Å) | 68.36 - 1.78 | 68.41 - 4.83 | 1.81 - 1.78 |
| Observations | 219140 | 21418 | 136 |
| Unique reflections | 20799 | 1380 | 125 |
| Multiplicity | 10.5 | 15.5 | 1.1 |
| Completeness | 85.44% | 100.00% | 10.52% |
| Mean I/σ(I) | 30.9 | 56.9 | 2.5 |
| Rmerge | 0.056 | 0.047 | 0.141 |
| Rmeas | 0.059 | 0.049 | 0.194 |
| Rpim | 0.016 | 0.012 | 0.133 |
| CC½ | 0.999 | 0.999 | 0.962 |
| Resolution (Å) | N(obs) | N(unique) | Multiplicity | Completeness | Mean I | Mean I/σ(I) | Rmerge | Rmeas | Rpim | Ranom | CC½ | CCano |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 68.41 - 4.83 | 21418 | 1380 | 15.52 | 100.00 | 287.4 | 56.9 | 0.047 | 0.049 | 0.012 | 0.025 | 0.999* | 0.018 |
| 4.83 - 3.84 | 20917 | 1271 | 16.46 | 100.00 | 422.2 | 60.5 | 0.045 | 0.047 | 0.011 | 0.024 | 0.999* | -0.051 |
| 3.84 - 3.35 | 20683 | 1256 | 16.47 | 100.00 | 323.0 | 56.7 | 0.048 | 0.050 | 0.012 | 0.026 | 0.999* | -0.053 |
| 3.35 - 3.05 | 20831 | 1226 | 16.99 | 100.00 | 222.9 | 52.4 | 0.053 | 0.055 | 0.013 | 0.028 | 0.999* | -0.023 |
| 3.05 - 2.83 | 20700 | 1221 | 16.95 | 100.00 | 153.9 | 46.1 | 0.060 | 0.062 | 0.015 | 0.031 | 0.999* | -0.103 |
| 2.83 - 2.66 | 21300 | 1233 | 17.27 | 100.00 | 128.0 | 43.9 | 0.065 | 0.067 | 0.016 | 0.034 | 0.998* | -0.158 |
| 2.66 - 2.53 | 20394 | 1197 | 17.04 | 100.00 | 101.2 | 37.4 | 0.073 | 0.076 | 0.018 | 0.039 | 0.999* | 0.010 |
| 2.53 - 2.42 | 16674 | 1212 | 13.76 | 100.00 | 90.2 | 32.0 | 0.079 | 0.082 | 0.022 | 0.048 | 0.998* | 0.003 |
| 2.42 - 2.32 | 12527 | 1213 | 10.33 | 99.92 | 81.5 | 27.5 | 0.081 | 0.085 | 0.026 | 0.058 | 0.997* | 0.029 |
| 2.32 - 2.24 | 10416 | 1207 | 8.63 | 99.92 | 76.9 | 23.9 | 0.083 | 0.088 | 0.030 | 0.066 | 0.996* | -0.050 |
| 2.24 - 2.17 | 8636 | 1191 | 7.25 | 99.75 | 68.5 | 20.2 | 0.087 | 0.093 | 0.034 | 0.069 | 0.993* | -0.195 |
| 2.17 - 2.11 | 6956 | 1189 | 5.85 | 99.33 | 58.0 | 16.1 | 0.097 | 0.106 | 0.043 | 0.093 | 0.991* | -0.101 |
| 2.11 - 2.06 | 5477 | 1147 | 4.78 | 95.98 | 52.7 | 13.5 | 0.097 | 0.108 | 0.047 | 0.106 | 0.992* | -0.005 |
| 2.06 - 2.01 | 4340 | 1110 | 3.91 | 92.65 | 45.4 | 11.2 | 0.109 | 0.125 | 0.059 | 0.128 | 0.986* | -0.034 |
| 2.01 - 1.96 | 3144 | 1029 | 3.06 | 86.40 | 38.9 | 8.8 | 0.119 | 0.142 | 0.075 | 0.169 | 0.977* | -0.025 |
| 1.96 - 1.92 | 2115 | 929 | 2.28 | 77.35 | 35.0 | 7.2 | 0.120 | 0.149 | 0.086 | 0.167 | 0.967* | -0.329 |
| 1.92 - 1.88 | 1171 | 716 | 1.64 | 60.17 | 29.7 | 5.2 | 0.136 | 0.181 | 0.117 | 0.249 | 0.951* | 0.950 |
| 1.88 - 1.84 | 816 | 564 | 1.45 | 48.83 | 26.1 | 4.5 | 0.156 | 0.212 | 0.143 | 0.363 | 0.941* | 0.000 |
| 1.84 - 1.81 | 489 | 383 | 1.28 | 31.63 | 23.5 | 3.8 | 0.182 | 0.250 | 0.170 | 0.289 | 0.910* | 0.000 |
| 1.81 - 1.78 | 136 | 125 | 1.09 | 10.52 | 16.3 | 2.5 | 0.141 | 0.194 | 0.133 | 9.447 | 0.962* | 0.000 |
Error model details: Type: basic Parameters: a = 0.75446, b = 0.06471 Error model formula: σ'² = a²(σ² + (bI)²) estimated I/sigma asymptotic limit: 20.482
| Experiment number | scan image range | image range in use | associated batch range | Image template |
| 0 | (1, 600) | (1, 600) | (0, 599) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_112/images/image_17578_master.h5 |
| 1 | (1, 600) | (1, 600) | (600, 1199) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_12/images/image_17586_master.h5 |
| 2 | (1, 600) | (1, 600) | (1200, 1799) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_151/images/image_17607_master.h5 |
| 3 | (1, 600) | (1, 600) | (1800, 2399) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_46/images/image_17657_master.h5 |